SCHEMBL21236833

SCHEMBL21236833

N#Cc1ccc(Oc2ccc(-c3cccc(CCO)n3)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 18/20 0.62
HSD11B1 P28845 1/20 0.50
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21236940 0.83 SCN9A (0.71) SCN9A
SCHEMBL805976 0.82 SCN9A (0.56) SCN9A
SCHEMBL21236904 0.80 SCN9A (0.69) SCN9A
SCHEMBL21236834 0.79 SCN9A (0.62) SCN9A
SCHEMBL29421398 0.77 SCN9A (1.00) SCN9A
SCHEMBL29421403 0.77 SCN9A (1.00) SCN9A
SCHEMBL786988 0.77 SCN9A (1.00) SCN9A
SCHEMBL29421396 0.77 SCN9A (1.00) SCN9A
SCHEMBL792513 0.77 SCN9A (1.00) SCN9A
SCHEMBL787483 0.77 SCN9A (1.00) SCN9A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616441-B1 PYRIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA LP (US) 2019-08-07 EP disclosed